1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine

C20H18N4S — CID 9108723

IUPAC1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine
SMILESc1ccc(CN(Cc2ccccc2)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C20H18N4S/c1-3-7-16(8-4-1)13-24(14-17-9-5-2-6-10-17)23-19-18-11-12-25-20(18)22-15-21-19/h1-12,15H,13-14H2,(H,21,22,23)
InChIKeyOOSXAXLFEASXBB-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.72
Rot. Bonds6

About 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine

1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine (PubChem CID 9108723) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine.

Molecular Properties

Compound Name1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine
PubChem CID9108723
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine
SMILESc1ccc(CN(Cc2ccccc2)Nc2ncnc3sccc23)cc1
InChIInChI=1S/C20H18N4S/c1-3-7-16(8-4-1)13-24(14-17-9-5-2-6-10-17)23-19-18-11-12-25-20(18)22-15-21-19/h1-12,15H,13-14H2,(H,21,22,23)
InChIKeyOOSXAXLFEASXBB-UHFFFAOYSA-N
XLogP4.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine?
The IUPAC name of 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine (CID 9108723) is 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine.
What is the SMILES notation for 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine?
The canonical SMILES for 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine is c1ccc(CN(Cc2ccccc2)Nc2ncnc3sccc23)cc1.
What is the InChIKey of 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine?
The InChIKey is OOSXAXLFEASXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-3-7-16(8-4-1)13-24(14-17-9-5-2-6-10-17)23-19-18-11-12-25-20(18)22-15-21-19/h1-12,15H,13-14H2,(H,21,22,23).
What are the key properties of 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine?
1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine has a molecular weight of 346.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-2-thieno[2,3-d]pyrimidin-4-ylhydrazine is sourced from PubChem (CID 9108723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).